Chemical Properties of O,O-Diethyl S-eththionylmethyl phosphorothioate (CAS 2588-05-8)

InChI

InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3

InChI Key

RCRHKXGEYNVPDK-UHFFFAOYSA-N

Formula

C7H17O4PS2

SMILES

CCOP(=O)(OCC)SCS(=O)CC

Molecular Weight¹

260.31

CAS

2588-05-8

Other Names

• Phosphorothioic acid, O,O-diethyl S-[(ethylsulfinyl)methyl] ester
• Phoratoxon sulfoxide
• Diethyl S-eththionylmethyl thiophosphate
• Phorate O-analog sulfoxide
• Phorate sulfoxide oxon

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to O,O-Diethyl S-eththionylmethyl phosphorothioate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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